6-chloro-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]quinoline-7-carboxamide

C21H14ClF3N4O — CID 155288458

IUPAC6-chloro-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]quinoline-7-carboxamide
SMILESCn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc2ncccc2cc1Cl
InChIInChI=1S/C21H14ClF3N4O/c1-29-19(11-18(28-29)12-4-2-6-14(8-12)21(23,24)25)27-20(30)15-10-17-13(9-16(15)22)5-3-7-26-17/h2-11H,1H3,(H,27,30)
InChIKeyJWGROAYZKUVKED-UHFFFAOYSA-N
MW430.82 g/mol
LogP5.56
Rot. Bonds3

About 6-chloro-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]quinoline-7-carboxamide

6-chloro-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]quinoline-7-carboxamide (PubChem CID 155288458) has the molecular formula C21H14ClF3N4O and a molecular weight of 430.82 g/mol. Its IUPAC name is 6-chloro-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]quinoline-7-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]quinoline-7-carboxamide
PubChem CID155288458
Molecular FormulaC21H14ClF3N4O
Molecular Weight430.82 g/mol
Exact Mass430.08
IUPAC Name6-chloro-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]quinoline-7-carboxamide
SMILESCn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc2ncccc2cc1Cl
InChIInChI=1S/C21H14ClF3N4O/c1-29-19(11-18(28-29)12-4-2-6-14(8-12)21(23,24)25)27-20(30)15-10-17-13(9-16(15)22)5-3-7-26-17/h2-11H,1H3,(H,27,30)
InChIKeyJWGROAYZKUVKED-UHFFFAOYSA-N
XLogP5.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.82
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-tert-butylphenyl)-1-methylpyrazol-5-yl]-6-chloroquinoline-7-carboxamide
CID 164806003
6-chloro-N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide
CID 155287780
6-chloro-N-[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide
CID 155287720
1-methyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]imidazole-4-carboxamide
CID 122147471
5-cyano-6-methylsulfanyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 167790557
N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide
CID 170346149
2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzimidazole-5-carboxamide
CID 45137150
3-bromo-4-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 146094787
6-chloro-N-[4-chloro-3-(diethylsulfamoyl)phenyl]quinoline-7-carboxamide
CID 155288495
N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-6-(trifluoromethyl)-2,3-dihydropyridine-5-carboxamide
CID 170596382
quinolin-6-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 129453468
N-(3-chlorophenyl)-6-methylquinoline-7-carboxamide
CID 142343847

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]quinoline-7-carboxamide?
The IUPAC name of 6-chloro-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]quinoline-7-carboxamide (CID 155288458) is 6-chloro-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]quinoline-7-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]quinoline-7-carboxamide?
The canonical SMILES for 6-chloro-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]quinoline-7-carboxamide is Cn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc2ncccc2cc1Cl.
What is the InChIKey of 6-chloro-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]quinoline-7-carboxamide?
The InChIKey is JWGROAYZKUVKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N4O/c1-29-19(11-18(28-29)12-4-2-6-14(8-12)21(23,24)25)27-20(30)15-10-17-13(9-16(15)22)5-3-7-26-17/h2-11H,1H3,(H,27,30).
What are the key properties of 6-chloro-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]quinoline-7-carboxamide?
6-chloro-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]quinoline-7-carboxamide has a molecular weight of 430.82 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]quinoline-7-carboxamide is sourced from PubChem (CID 155288458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).